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Compound InformationSONAR Target prediction
Name:

alpha-TOXICAROL

Unique Identifier:SPE00211224
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C23H22O7
Molecular Weight:388.242 g/mol
X log p:11.447  (online calculus)
Lipinksi Failures1
TPSA63.22
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:7
Rotatable Bond Count:2
Canonical Smiles:COc1cc2OCC3Oc4c5C=CC(C)(C)Oc5cc(O)c4C(=O)C3c2cc1OC
Source:ex Derris spp
Reference:J Chem Soc 1938: 513

Found: 486 nonactive | as graph: single | with analogs [1] << Back 361 362 363 364 365 366 367 368 369 370  Next >> [486]
Species: 4932
Condition: SPE01501139
Replicates: 2
Raw OD Value: r im 0.6052±0.0210011
Normalized OD Score: sc h 1.0705±0.00629072
Z-Score: 1.2277±0.213311
p-Value: 0.224784
Z-Factor: -8.44367
Fitness Defect: 1.4926
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SpectrumTMP
Plate Number and Position:1|E3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:22.20 Celcius
Date:2006-11-22 YYYY-MM-DD
Plate CH Control (+):0.03905±0.00254
Plate DMSO Control (-):0.6287499999999999±0.14085
Plate Z-Factor:0.1245
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DBLink | Rows returned: 4
120626
183156
243723
442826

internal high similarity DBLink | Rows returned: 2
SPE00203010 0.9851
SPE00201138 0.9901

active | Cluster 3220 | Additional Members: 18 | Rows returned: 91 2 Next >> 
SPE00203010 0.535714285714286
SPE00201477 0.513513513513513
SPE00201138 0.4375
SPE00200851 0.425
LAT001C04 0.315068493150685
SPE00201449 0.315068493150685

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